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            <h1><a href="/" title="Web-based Interactive Computational Environment Homepage">
                WICE
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            <p>Web-based Interactive Computational Environment</p>
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                <li id="nav-about" class="extra"><a href="/about" title="About The WICE Project"
                    >About</a></li>
                <li id="nav-help" class="extra"><a href="/help" title="A Quick Tutorial on the uce of WICE"
                    >Help</a></li>
                <li id="nav-hydrodynamics" class="programs">
                    <a href="hydrodynamics.html" title="Use Hydrodynamics Tool Chain"
                        ><strong>Hydro- dynamics</strong></a>
                    <ul>
                        <li id="nav-msroll" class="tool"><a href="msroll.html" title="Setup and run the MSROLL utility"
                            ><strong>MSROLL</strong>
                            <span class="summary">
                                Generate a 3D mesh from an x-ray crystallography experiment
                            </span></a>
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                        <li id="nav-rcoal" class="tool"><a href="rcoal.html" title="Setup and run the RCOAL utility"
                            ><strong>RCOAL</strong>
                            <span class="summary">
                                Optimize a 3D MSROLL mesh by reducing the number of triangles
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                        <li id="nav-best" class="tool"><a href="best.html" title="Setup and run the BEST utility"
                            ><strong>BEST</strong>
                            <span class="summary">
                                Calculate the hydrodynamic transport tensors from the 3D structure of a molecule
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                    <a href="molecular-dynamics.html" title="Run the molecular dynamics toolchain"
                        ><strong>Molecular Dynamics</strong>
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        <h1>MSROLL Result</h1>
		<div class="result-parameters">
			<table style="width:400px">
				<tr><th colspan="2">Parameter List <a href="msroll-edit.html" style="font-size:.7em;vertical-align:super;text-decoration:none;font-family:Tahoma, Verdana, Helvetica, Arial, sans-serif;">[edit]</a></th></tr>
				<tr><td style="padding:5px">Project Name</td><td style="padding:5px" align="right">Example</td></tr>
				<tr><td style="padding:5px">Job Name</td><td style="padding:5px" align="right">1ubq201</td></tr>
				<tr><td style="padding:5px">Input File</td><td style="padding:5px" align="right">example/1ubq.pdb.201.h.pdb</td></tr>
				<tr><td style="padding:5px">Atomic Radii File</td><td style="padding:5px" align="right">example/radius1.1</td></tr>
				<tr><td style="padding:5px">Probe Radius</td><td style="padding:5px" align="right">1.50</td></tr>
				<tr><td style="padding:5px">Fitness</td><td style="padding:5px" align="right">0.20</td></tr>
			</table>
		</div>
		<div class="log-file-box">
			msroll&nbsp&nbsp&nbsp version&nbsp 3.9&nbsp&nbsp&nbsp&nbsp Copyright&nbsp 2000&nbsp by&nbsp Michael&nbsp L.&nbsp Connolly<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 22&nbsp atom&nbsp types&nbsp and&nbsp radii&nbsp read<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp 611&nbsp atoms&nbsp read&nbsp from&nbsp file,&nbsp with&nbsp radii&nbsp varying&nbsp between&nbsp&nbsp 2.700&nbsp and&nbsp&nbsp 3.050<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp 611&nbsp atoms&nbsp in&nbsp molecule&nbsp ap0&nbsp <br />
			&nbsp&nbsp 1.5000&nbsp probe&nbsp radius<br />
			&nbsp&nbsp&nbsp 23522&nbsp neighbor&nbsp pairs<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp 672&nbsp probe&nbsp positions<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp 975&nbsp tori<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 38&nbsp low&nbsp probes<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 6&nbsp point&nbsp cusp&nbsp vertices<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 3&nbsp point&nbsp cusp&nbsp tori<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 18&nbsp cusp&nbsp circles&nbsp created<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 7&nbsp cusp&nbsp circles&nbsp eaten<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 3&nbsp cusp&nbsp arcs&nbsp created<br />
			&nbsp&nbsp&nbsp&nbsp 2021&nbsp faces<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 1&nbsp components<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 1&nbsp lunes<br />
			&nbsp&nbsp&nbsp 10898&nbsp triangles&nbsp&nbsp&nbsp&nbsp 16347&nbsp edges&nbsp&nbsp&nbsp&nbsp&nbsp 5451&nbsp vertices<br />
			&nbsp&nbsp&nbsp 0.050&nbsp coalesce&nbsp vertices&nbsp distance&nbsp cutoff<br />
			&nbsp&nbsp&nbsp&nbsp 5451&nbsp vertices<br />
			&nbsp&nbsp&nbsp 16347&nbsp edges<br />
			&nbsp&nbsp&nbsp 10898&nbsp triangles<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 71&nbsp vertex&nbsp groups<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp 148&nbsp degenerate&nbsp triangles&nbsp removed<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 77&nbsp degenerate&nbsp edges&nbsp removed<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp 145&nbsp duplicate&nbsp edges&nbsp removed<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 74&nbsp duplicate&nbsp vertices&nbsp removed<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp 444&nbsp vertices,&nbsp edges&nbsp and&nbsp triangles&nbsp removed&nbsp in&nbsp first&nbsp pass<br />
			&nbsp&nbsp&nbsp 0.050&nbsp coalesce&nbsp vertices&nbsp distance&nbsp cutoff<br />
			&nbsp&nbsp&nbsp&nbsp 5377&nbsp vertices<br />
			&nbsp&nbsp&nbsp 16125&nbsp edges<br />
			&nbsp&nbsp&nbsp 10750&nbsp triangles<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 0&nbsp vertices,&nbsp edges&nbsp and&nbsp triangles&nbsp removed&nbsp in&nbsp second&nbsp pass<br />
			&nbsp&nbsp 2652.7&nbsp convex&nbsp area&nbsp&nbsp (polyhedral)<br />
			&nbsp&nbsp 1896.7&nbsp saddle&nbsp area&nbsp&nbsp (polyhedral)<br />
			&nbsp&nbsp&nbsp 585.6&nbsp concave&nbsp area&nbsp (polyhedral)<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp area&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp volume<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp analytic&nbsp&nbsp polyhedral&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp analytic&nbsp&nbsp polyhedral<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 1&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 5282.114&nbsp&nbsp&nbsp&nbsp 5135.005&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 16591.419&nbsp&nbsp&nbsp 16297.043<br />
			&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 5282.114&nbsp&nbsp&nbsp&nbsp 5135.005&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp&nbsp 16591.419&nbsp&nbsp&nbsp 16297.043<br />
			&nbsp&nbsp&nbsp&nbsp 5377&nbsp vertices&nbsp written&nbsp to&nbsp disk<br />
			&nbsp&nbsp&nbsp 16125&nbsp edges&nbsp written&nbsp to&nbsp disk<br />
			&nbsp&nbsp&nbsp 10750&nbsp triangles&nbsp written&nbsp to&nbsp disk
		</div>
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			<a href="rcoal.html">Output File</a>
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			<input style="margin-right:18px" type="submit" value="Send to RCOAL" name="action" title="Send this file to RCOAL">
			</form>
		</div>
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			<img src="h.jpg" width="400px" />
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